1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine

C14H18ClFN2 — CID 103041760

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine
SMILESFc1ccc(CN2CCNCC2C2CC2)cc1Cl
InChIInChI=1S/C14H18ClFN2/c15-12-7-10(1-4-13(12)16)9-18-6-5-17-8-14(18)11-2-3-11/h1,4,7,11,14,17H,2-3,5-6,8-9H2
InChIKeyPBSLBTHFNMDBSD-UHFFFAOYSA-N
MW268.76 g/mol
LogP2.66
Rot. Bonds3

About 1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine

1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine (PubChem CID 103041760) has the molecular formula C14H18ClFN2 and a molecular weight of 268.76 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine
PubChem CID103041760
Molecular FormulaC14H18ClFN2
Molecular Weight268.76 g/mol
Exact Mass268.11
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine
SMILESFc1ccc(CN2CCNCC2C2CC2)cc1Cl
InChIInChI=1S/C14H18ClFN2/c15-12-7-10(1-4-13(12)16)9-18-6-5-17-8-14(18)11-2-3-11/h1,4,7,11,14,17H,2-3,5-6,8-9H2
InChIKeyPBSLBTHFNMDBSD-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine
CID 64833163
1-[(4-chloro-3-fluorophenyl)methyl]-2-cyclohexylpiperazine
CID 107888446
1-[(3-chloro-4-fluorophenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678143
2-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperazine
CID 64833751
2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64833733
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
2-cyclohexyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64845060
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine
CID 102879475
1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 81154667
1-[(4-chloro-3-fluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 107888732
1-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 81154666

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine (CID 103041760) is 1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine is Fc1ccc(CN2CCNCC2C2CC2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine?
The InChIKey is PBSLBTHFNMDBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2/c15-12-7-10(1-4-13(12)16)9-18-6-5-17-8-14(18)11-2-3-11/h1,4,7,11,14,17H,2-3,5-6,8-9H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine?
1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine has a molecular weight of 268.76 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine is sourced from PubChem (CID 103041760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).